N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide

C15H20N2O2 — CID 115173479

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CCC#N
InChIInChI=1S/C15H20N2O2/c1-15(2,3)11-7-8-13(19-4)12(10-11)17-14(18)6-5-9-16/h7-8,10H,5-6H2,1-4H3,(H,17,18)
InChIKeyYTSRTQYACVLCEN-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.23
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide

N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide (PubChem CID 115173479) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
PubChem CID115173479
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CCC#N
InChIInChI=1S/C15H20N2O2/c1-15(2,3)11-7-8-13(19-4)12(10-11)17-14(18)6-5-9-16/h7-8,10H,5-6H2,1-4H3,(H,17,18)
InChIKeyYTSRTQYACVLCEN-UHFFFAOYSA-N
XLogP3.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
CID 115173478
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
CID 4856932
N-(5-chloro-2-methoxy-4-methylphenyl)-3-cyanopropanamide
CID 115173505
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2335761
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
N-(5-tert-butyl-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 16546420
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide (CID 115173479) is N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide is COc1ccc(C(C)(C)C)cc1NC(=O)CCC#N.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide?
The InChIKey is YTSRTQYACVLCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)11-7-8-13(19-4)12(10-11)17-14(18)6-5-9-16/h7-8,10H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide?
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide has a molecular weight of 260.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide is sourced from PubChem (CID 115173479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).